Compound Identification
SMILES
CCO\N=C(/C)C(CC1=CC=C(OCCSC2=CC=CC=C2)C=C1)C(O)=O
InChIKey
InChIKey=GKYDBHQMBATWRI-CJLVFECKSA-N
Formula
C21H25NO4S
Mass
387.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Thiophenol ethers Phenoxy compounds Phenol ethers Alkylarylthioethers Alkyl aryl ethers Oxime ethers Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Phenol ether - Phenoxy compound - Aryl thioether - Thiophenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Oxime ether - Sulfenyl compound - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available